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PubMed code 26762836

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50140241
PNG
(Allopurinol | Aloral | Aluline 100 | Aluline 300 |...)
Show SMILES O=c1[nH]cnc2[nH]ncc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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PubMed
n/an/a 200n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50157556
PNG
(3-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2O)cc1O
Show InChI InChI=1S/C15H12O6/c16-10(9-3-6-12(18)15(21)14(9)20)4-1-8-2-5-11(17)13(19)7-8/h1-7,17-21H/b4-1+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50157562
PNG
(1,3-bis(3,4-dihydroxyphenyl)prop-2-en-1-one | 3,3'...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H12O5/c16-11(10-3-6-13(18)15(20)8-10)4-1-9-2-5-12(17)14(19)7-9/h1-8,17-20H/b4-1+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50042962
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-1+
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n/an/a 4.30E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50042979
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(3-hydroxy-phenyl)-prop...)
Show SMILES Oc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-3-1-2-11(9-12)13(17)6-4-10-5-7-14(18)15(19)8-10/h1-9,16,18-19H/b6-4+
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n/an/a 5.30E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50140244
PNG
(CHEMBL3754082)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2O)c(O)c1O
Show InChI InChI=1S/C15H12O7/c16-9(8-3-6-11(18)15(22)13(8)20)4-1-7-2-5-10(17)14(21)12(7)19/h1-6,17-22H/b4-1+
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n/an/a 5.50E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50140246
PNG
(CHEMBL1966973)
Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-11-6-10(7-12(17)8-11)13(18)3-1-9-2-4-14(19)15(20)5-9/h1-8,16-17,19-20H/b3-1+
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n/an/a 6.50E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50140243
PNG
(CHEMBL3754006)
Show SMILES Oc1ccc(O)c(\C=C\C(=O)c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C15H12O5/c16-11-3-6-13(18)9(7-11)1-4-12(17)10-2-5-14(19)15(20)8-10/h1-8,16,18-20H/b4-1+
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n/an/a 8.60E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50042966
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2,5-dihydroxy-phenyl)-...)
Show SMILES Oc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-6-13(18)11(8-10)12(17)4-1-9-2-5-14(19)15(20)7-9/h1-8,16,18-20H/b4-1+
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n/an/a 1.70E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50140242
PNG
(CHEMBL3754732)
Show SMILES Oc1ccc(cc1O)C(=O)\C=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C15H12O6/c16-10(9-3-5-11(17)13(19)7-9)4-1-8-2-6-12(18)15(21)14(8)20/h1-7,17-21H/b4-1+
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n/an/a 1.80E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50140168
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3-hydroxyphenyl)-2-...)
Show SMILES Oc1cccc(\C=C\C(=O)c2ccc(O)cc2O)c1
Show InChI InChI=1S/C15H12O4/c16-11-3-1-2-10(8-11)4-7-14(18)13-6-5-12(17)9-15(13)19/h1-9,16-17,19H/b7-4+
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n/an/a 2.70E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50140169
PNG
(CHEMBL3752751)
Show SMILES Oc1ccc(\C=C\C(=O)c2c(O)cccc2O)cc1O
Show InChI InChI=1S/C15H12O5/c16-10-6-4-9(8-14(10)20)5-7-13(19)15-11(17)2-1-3-12(15)18/h1-8,16-18,20H/b7-5+
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n/an/a 3.50E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50042963
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-phenyl-propenone | ...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2)cc1O
Show InChI InChI=1S/C15H12O3/c16-13(12-4-2-1-3-5-12)8-6-11-7-9-14(17)15(18)10-11/h1-10,17-18H/b8-6+
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n/an/a 5.30E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50140240
PNG
(CHEMBL3753041)
Show SMILES Oc1ccc(cc1O)C(=O)\C=C\c1cccc(O)c1O
Show InChI InChI=1S/C15H12O5/c16-11(10-5-7-12(17)14(19)8-10)6-4-9-2-1-3-13(18)15(9)20/h1-8,17-20H/b6-4+
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n/an/a 9.30E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM86004
PNG
(Chalcone 2 | Chalcone, 3)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+
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n/an/a 2.90E+5n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%